1-methyl-2-[2-(methylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one

C13H15N5O — CID 90135497

IUPAC1-methyl-2-[2-(methylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCNc1nccc(-c2cc3c(n2C)CCNC3=O)n1
InChIInChI=1S/C13H15N5O/c1-14-13-16-5-3-9(17-13)11-7-8-10(18(11)2)4-6-15-12(8)19/h3,5,7H,4,6H2,1-2H3,(H,15,19)(H,14,16,17)
InChIKeyZAPZWOHTTWCZTO-UHFFFAOYSA-N
MW257.30 g/mol
LogP0.81
Rot. Bonds2

About 1-methyl-2-[2-(methylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one

1-methyl-2-[2-(methylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 90135497) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 1-methyl-2-[2-(methylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name1-methyl-2-[2-(methylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID90135497
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name1-methyl-2-[2-(methylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCNc1nccc(-c2cc3c(n2C)CCNC3=O)n1
InChIInChI=1S/C13H15N5O/c1-14-13-16-5-3-9(17-13)11-7-8-10(18(11)2)4-6-15-12(8)19/h3,5,7H,4,6H2,1-2H3,(H,15,19)(H,14,16,17)
InChIKeyZAPZWOHTTWCZTO-UHFFFAOYSA-N
XLogP0.81
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[2-(methylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 1-methyl-2-[2-(methylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (CID 90135497) is 1-methyl-2-[2-(methylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 1-methyl-2-[2-(methylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 1-methyl-2-[2-(methylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is CNc1nccc(-c2cc3c(n2C)CCNC3=O)n1.
What is the InChIKey of 1-methyl-2-[2-(methylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is ZAPZWOHTTWCZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-14-13-16-5-3-9(17-13)11-7-8-10(18(11)2)4-6-15-12(8)19/h3,5,7H,4,6H2,1-2H3,(H,15,19)(H,14,16,17).
What are the key properties of 1-methyl-2-[2-(methylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
1-methyl-2-[2-(methylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 257.30 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[2-(methylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 90135497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).